[3-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate

Formula:C23H13N3O7S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate is not a drug-like molecule.

MolName	[3-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate
MolecularFormula	C23H13N3O7S2
Smiles	[O-][N+](c1cc(C(Oc2cccc(/C=C(\C(N3c4ccccc4)=O)/SC3=S)c2)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C23H13N3O7S2/c27-21-20(35-23(34)24(21)16-6-2-1-3-7-16)10-14-5-4-8-19(9-14)33-22(28)15-11-17(25(29)30)13-18(12-15)26(31)32/h1-13H
InChIK	YYPVRAXEJBCBQG-UHFFFAOYSA-N
TotalMolweight	507.502
Molweight	507.502
MonoisotopicMass	507.019492
CLogP	2.4796
CLogS	-7.373
H Acceptors	10
TotalSurfaceArea	357.33
Relative PSA	0.40847
PolarSurfaceArea	195.64
Druglikeness	-2.2521
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	7
Amides	1
AcidicOxygens	2
StereoCon

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1 - [3-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate | 2 - [3-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate

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